5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione

C19H26N2O4 — CID 20685069

IUPAC5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
SMILESCC1=CC(C2CC(=O)N(C(C)C)C2=O)CC2C(=O)N(C(C)C)C(=O)C12
InChIInChI=1S/C19H26N2O4/c1-9(2)20-15(22)8-13(17(20)23)12-6-11(5)16-14(7-12)18(24)21(10(3)4)19(16)25/h6,9-10,12-14,16H,7-8H2,1-5H3
InChIKeyDGZWEGBYIQYLHQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.75
Rot. Bonds3

About 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione

5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione (PubChem CID 20685069) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
PubChem CID20685069
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
SMILESCC1=CC(C2CC(=O)N(C(C)C)C2=O)CC2C(=O)N(C(C)C)C(=O)C12
InChIInChI=1S/C19H26N2O4/c1-9(2)20-15(22)8-13(17(20)23)12-6-11(5)16-14(7-12)18(24)21(10(3)4)19(16)25/h6,9-10,12-14,16H,7-8H2,1-5H3
InChIKeyDGZWEGBYIQYLHQ-UHFFFAOYSA-N
XLogP1.75
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione?
The IUPAC name of 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione (CID 20685069) is 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione is CC1=CC(C2CC(=O)N(C(C)C)C2=O)CC2C(=O)N(C(C)C)C(=O)C12.
What is the InChIKey of 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione?
The InChIKey is DGZWEGBYIQYLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-9(2)20-15(22)8-13(17(20)23)12-6-11(5)16-14(7-12)18(24)21(10(3)4)19(16)25/h6,9-10,12-14,16H,7-8H2,1-5H3.
What are the key properties of 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione?
5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione has a molecular weight of 346.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-7-methyl-2-propan-2-yl-3a,4,5,7a-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 20685069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).